CAS 51788-80-8 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one (HCID 142887)

기본 정보

CAS: 51788-80-8
표준 SMILES: COc1cc(F)ccc1C(C)=O
InChIKey: YOXBPWVWNQROBJ-UHFFFAOYSA-N
분자식: C9H9FO2
평균 분자량: 168.16 g/mol
단동위원소 질량: 168.05865775

이름 및 식별자

우선 이름: 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one
IUPAC: 1-(4-fluoro-2-methoxyphenyl)ethanone
현지명: 4-플루오로-2-메톡시아세토페논
영어명: 4-Fluoro-2-methoxyacetophenone
분자식: C9H9FO2
분자량: 168.16

이름 및 동의어

1-(4-fluoro-2-methoxyphenyl)ethanone1-(4-fluoro-2-methoxyphenyl)ethan-1-oneRefChem:425442670-596-051788-80-84-Fluoro-2-methoxyacetophenone4'-Fluoro-2'-methoxyacetophenoneMFCD000611431-(4-fluoro-2-methoxy-phenyl)-ethanoneEthanone, 1-(4-fluoro-2-methoxyphenyl)-1-acetyl-4-fluoro-2-methoxybenzeneSTK802225

이름 더 보기

4-플루오로-2-메톡시아세토페논4'-Fluoro-2'-methoxyacetophenone98%4'-Fluoro-2'-methoxyacetophenone 98%4′-Fluoro-2′-methoxyacetophenone, CAS 51788-80-84'-fluoro-2'-methoxyacetophenone,1-(4-fluoro-2-methoxyphenyl)ethanone

1-(4-fluoro-2-methoxy-phenyl)ethanoneCS-0045026Z3308305844 inverted exclamation mark -Fluoro-2 inverted exclamation mark -methoxyacetophenone2'-Methoxy-4'-fluoroacetophenone4'-Fluoro-2'-methoxyacetophenone,2-METHOXY-4-FLUOROACETOPHENONE4'-Fluoro-2'-methoxy

데이터베이스 식별자

CAS: 51788-80-8
PubChem CID: 142887
DTXSID: DTXSID30199714
ChEMBL: CHEMBL4591665
EC Number: 670-596-0
Nikkaji: J1.784.726K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 51 °C · 51 °C
끓는 점: 228.4 · 228.4±20.0 °C(Predicted)
밀도: 1.127 · 1.127±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 2251986 · 2251986

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2914500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4''-Fluoro-2''-methoxyacetophenone

제조 방법

Preparation by reaction of methyl iodide with 4-fluoro-2-hydroxyacetophenone in the presence of potassium carbonate, in DMSO at r.t. for 1 h (100%); in acetone (97%).